[3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone

C21H28N4O4 — CID 131681929

IUPAC[3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCOCC1CC2(CCN(C(=O)c3cc(OC)no3)CC2)CN1Cc1cccnc1
InChIInChI=1S/C21H28N4O4/c1-27-14-17-11-21(15-25(17)13-16-4-3-7-22-12-16)5-8-24(9-6-21)20(26)18-10-19(28-2)23-29-18/h3-4,7,10,12,17H,5-6,8-9,11,13-15H2,1-2H3
InChIKeyRRESNEMUPCHAAZ-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.22
Rot. Bonds6

About [3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone

[3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone (PubChem CID 131681929) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is [3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
PubChem CID131681929
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name[3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCOCC1CC2(CCN(C(=O)c3cc(OC)no3)CC2)CN1Cc1cccnc1
InChIInChI=1S/C21H28N4O4/c1-27-14-17-11-21(15-25(17)13-16-4-3-7-22-12-16)5-8-24(9-6-21)20(26)18-10-19(28-2)23-29-18/h3-4,7,10,12,17H,5-6,8-9,11,13-15H2,1-2H3
InChIKeyRRESNEMUPCHAAZ-UHFFFAOYSA-N
XLogP2.22
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone with MolForge

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Related Compounds

(2-fluoro-4-pyridinyl)-[3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131679665
1-[3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile;2,2,2-trifluoroacetic acid
CID 171693432
1-[3-(cyclopropylmethoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
CID 155855914
[2-(3-methoxy-1,2-oxazole-5-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
CID 155870453
(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 131689476
[(3R)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97375074
(4-benzylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 90573738
3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131663585
(3-methoxy-1,2-oxazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 90573958
(3-methoxy-1,2-oxazol-5-yl)-(1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 131681792
methyl 1-(3-methoxy-1,2-oxazole-5-carbonyl)piperidine-4-carboxylate
CID 90573723
8-cyclobutyl-3-(methoxymethyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131662117

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
The IUPAC name of [3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone (CID 131681929) is [3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone is COCC1CC2(CCN(C(=O)c3cc(OC)no3)CC2)CN1Cc1cccnc1.
What is the InChIKey of [3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
The InChIKey is RRESNEMUPCHAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-27-14-17-11-21(15-25(17)13-16-4-3-7-22-12-16)5-8-24(9-6-21)20(26)18-10-19(28-2)23-29-18/h3-4,7,10,12,17H,5-6,8-9,11,13-15H2,1-2H3.
What are the key properties of [3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
[3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone has a molecular weight of 400.48 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 131681929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).